[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate

C18H14ClNO3 — CID 46900156

IUPAC[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
SMILESCC(=O)O[C@]1(c2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H14ClNO3/c1-11(21)23-18(12-6-8-13(19)9-7-12)10-17(18)14-4-2-3-5-15(14)20-16(17)22/h2-9H,10H2,1H3,(H,20,22)/t17-,18-/m0/s1
InChIKeyGQMYFXXBDKHEJB-ROUUACIJSA-N
MW327.77 g/mol
LogP3.39
Rot. Bonds2

About [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate

[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate (PubChem CID 46900156) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate.

Molecular Properties

Compound Name[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
PubChem CID46900156
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
SMILESCC(=O)O[C@]1(c2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C18H14ClNO3/c1-11(21)23-18(12-6-8-13(19)9-7-12)10-17(18)14-4-2-3-5-15(14)20-16(17)22/h2-9H,10H2,1H3,(H,20,22)/t17-,18-/m0/s1
InChIKeyGQMYFXXBDKHEJB-ROUUACIJSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate with MolForge

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Related Compounds

[(1'S,3R)-2-oxo-1'-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate
CID 46900703
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
[3-(2-chloro-2-cyanoethenyl)-2-oxo-1H-indol-3-yl] acetate
CID 73097452
2'-(4-fluorophenyl)-2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 77252315
ethyl (2R)-2-acetyloxy-2-[(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]acetate
CID 56837652
4'-(4-Chlorobenzoyl)-1'-methyl-dispiro[indole-3(2H),2'-pyrrolidine-3',3''(2''H)-indole]-2,2''-dione
CID 139068687
3-[[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl]methyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 123214734
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
4-(3-fluoro-2-oxo-1H-indol-3-yl)butyl acetate
CID 101031126
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
3,3-dichloro-1H-indol-2-one
CID 719018

Frequently Asked Questions

What is the IUPAC name of [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
The IUPAC name of [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate (CID 46900156) is [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate.
What is the SMILES notation for [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
The canonical SMILES for [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate is CC(=O)O[C@]1(c2ccc(Cl)cc2)C[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
The InChIKey is GQMYFXXBDKHEJB-ROUUACIJSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-11(21)23-18(12-6-8-13(19)9-7-12)10-17(18)14-4-2-3-5-15(14)20-16(17)22/h2-9H,10H2,1H3,(H,20,22)/t17-,18-/m0/s1.
What are the key properties of [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate?
[(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate has a molecular weight of 327.77 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'S,3R)-1'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-yl] acetate is sourced from PubChem (CID 46900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).